Search results for: hydrogen isotope permeability
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1615

Search results for: hydrogen isotope permeability

1285 Application of Computational Fluid Dynamics in the Analysis of Water Flow in Rice Leaves

Authors: Marcio Mesquita, Diogo Henrique Morato de Moraes, Henrique Fonseca Elias de Oliveira, Rilner Alves Flores, Mateus Rodrigues Ferreira, Dalva Graciano Ribeiro

Abstract:

This study aimed to analyze the movement of water in irrigated and non-irrigated rice (Oryza sativa L.) leaves, from the xylem to the stomata, through numerical simulations. Through three-dimensional modeling, it was possible to determine how the spacing of parenchyma cells and the permeability of these cells influence the apoplastic flow and the opening of the stomata. The thickness of the cuticle and the number of vascular bundles are greater in plants subjected to water stress, indicating an adaptive response of plants to environments with water deficit. In addition, numerical simulations revealed that the opening of the stomata, the permeability of the parenchyma cells and the cell spacing have significant impacts on the energy loss and the speed of water movement. It was observed that a more open stoma facilitates water flow, decreasing the resistance and energy required for transport, while higher levels of permeability reduce energy loss, indicating that a more permeable tissue allows for more efficient water transport. Furthermore, it was possible to note that stomatal aperture, parenchyma permeability and cell spacing are crucial factors in the efficient water management of plants, especially under water stress conditions. These insights are essential for the development of more effective agricultural management strategies and for the breeding of plant varieties that are more resistant to adverse growing conditions. Computed fluid dynamics has allowed us to overcome the limitations of conventional techniques by providing a means to visualize and understand the complex hydrodynamic processes within the vascular system of plants.

Keywords: numerical modeling, vascular anatomy, vascular hydrodynamics, xylem, Oryza sativa L.

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1284 Formation of ZnS/ZnO Heterojunction for Photocatalytic Hydrogen Evolution Using Partial Oxidation and Chemical Precipitation Synthesis Methods

Authors: Saba Didarataee, Abbas Ali Khodadadi, Yadollah Mortazavi, Fatemeh Mousavi

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Photocatalytic water splitting is one of the most attractive alternative methods for hydrogen evolution. A variety of nanoparticle engineering techniques were introduced to improve the activity of semiconductor photocatalysts. Among these methods, heterojunction formation is an appealing method due to its ability to effectively preventing electron-hole recombination and improving photocatalytic activity. Reaching an optimal ratio of the two target semiconductors for the formation of heterojunctions is still an open question. Considering environmental issues as well as the cost and availability, ZnS and ZnO are frequently studied as potential choices. In this study, first, the ZnS nanoparticle was synthesized in a hydrothermal process; the formation of ZnS nanorods with a diameter of 14-30 nm was confirmed by field emission scanning electron microscope (FESEM). Then two different methods, partial oxidation and chemical precipitation were employed to construct ZnS/ZnO core-shell heterojunction. X-ray diffraction (XRD), BET, and diffuse reflectance spectroscopy (DRS) analysis were carried out to determine crystallite phase, surface area, and bandgap of photocatalysts. Furthermore, the temperature of oxidation was specified by a temperature programmed oxidation (TPO) and was fixed at 510℃, at which mild oxidation occurred. The bandgap was calculated by the Kubelka-Munk method and decreased by increasing oxide content from 3.53 (pure ZnS) to 3.18 (pure ZnO). The optimal samples were determined by testing the photocatalytic activity of hydrogen evolution in a quartz photoreactor with side irradiation of UVC lamps with a wavelength of 254 nm. In both procedures, it was observed that the photocatalytic activity of the ZnS/ZnO composite was sensibly higher than the pure ZnS and ZnO, which is attributed to forming a type-II heterostructure. The best ratio of oxide to sulfide was 0.24 and 0.37 in partial oxidation and chemical precipitation, respectively. The highest hydrogen evolution was 1081 µmol/gr.h, gained from partial oxidizing of ZnS nanoparticles at 510℃ for 30 minutes.

Keywords: heterostructure, hydrogen, partial oxidation, photocatalyst, water splitting, ZnS

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1283 Deuterium Effect on the Growth of the Fungus Aspergillus Fumigatus and Candida Albicans

Authors: Farzad Doostishoar, Abdolreza Hasanzadeh, Seyed Amin Ayatolahi Mousavi

Abstract:

Introduction and Goals: Deuterium has different action from its isotopes hydrogen in chemical reactions and biochemical processes. It is not a significant difference in heavier atoms between the behavior of heavier isotope and the lighter One but for very lighter atoms it is significant . According to that most of the weight of all creatures body is water natural rate can be significant. In this article we want to study the effect of reduced deuterium on the fungus cell. If we saw the dependence of deuterium concentration of environment on the cells growth we can test this in invivo models too. Methods: First we measured deuterium concentration of the distillated water this analyze was operated by Arak’s heavy water company. Then the deuterium was diluted to ½ ¼ 1/8 1/16 by adding water free of deuterium for making media. In tree of samples the deuterium concentration was increased by adding D2O up to 10,50,100 times more concentrated. For candida albicans growth we used sabor medium and for aspergillus fomigatis growth we used sabor medium containing chloramphenicol. After culturing the funguses species we put the mediums for each species in the shaker incubator for 10 days in 25 centigrade. In different days and times the plates were studied morphologically and some microscopic characteristics were studied too. This experiments and cultures were repeated 3 times. Results: Statistical analyzes by paired-sample T test showed that aspergilus fomigatoos growth was decreased in concentration of 72 ppm( half deuterium concentration of negative control) significantly. In deuterium concentration reduction the growth reduce into the negative control significantly. The project results showed that candida albicans was sensitive to reduce and decrease of the deuterium in all concentrations.

Keywords: deuterium, cancer cell, growth, candida albicans

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1282 Solar Photocatalytic Hydrogen Production from Glycerol Reforming Using Ternary Cu/TiO2/Graphene

Authors: Tumelo W. P. Seadira, Thabang Ntho, Cornelius M. Masuku, Michael S. Scurrell

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A ternary Cu/TiO2/rGO photocatalysts was prepared using solvothermal method. Firstly, pure anatase TiO2 hollow spheres were prepared with titanium butoxide, ethanol, ammonium sulphate, and urea via hydrothermal method; and Cu nanoparticles were subsequently loaded on the surface of the hollow spheres by wet impregnation. During the solvothermal process, the deposition and well dispersion of Cu-TiO2 hollow spheres composites onto the graphene oxide surface, as well as the reduction of graphene oxide to graphene were achieved. The morphological and structural properties of the prepared samples were characterized by Brunauer-Emmett-Tellet (BET), X-ray Diffraction (XRD), Scanning Electron Microscope (SEM), Transmission Electron Microscopy (TEM), and UV-vis DRS, and photoelectrochemical. The activities of the prepared catalysts were tested for hydrogen production via simultaneous photocatalytic water-splitting and glycerol reforming under visible light irradiation. The excellent photocatalytic activity of the Cu-TiO2-hollow-spheres/rGO catalyst was attributed the rGO which acts as both storage and transferor of electrons generated at the Cu and TiO2 heterojunction, thus increasing the electron-hole pairs separation. This paper reports the preparation of photocatalyst which is highly active by coupling reduced graphene oxide with nano-structured TiO2 with high surface area that can efficiently harvest the visible light for effective water-splitting and glycerol photocatalytic reforming in order to achieve efficient hydrogen evolution.

Keywords: glycerol reforming, hydrogen evolution, graphene oxide, Cu/TiO2-hollow-spheres/rGO

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1281 The Effect of Gamma-Aminobutyric Acid on Mechanical Properties, Water Vapor Permeability and Solubility of Pectin Films

Authors: Jitrawadee Meerasri, Rungsinee Sothornvit

Abstract:

Pectin is a structural polysaccharide from plant cell walls and can be used as a stabilizer, gelling and film-forming agents to improve many food products. Moreover, pectin film as a natural biopolymer can be a carrier of several active ingredients such as antioxidant and antimicrobial to provide an active or functional film. Gamma-aminobutyric acid (GABA) is a well-known agent to reduce neuronal excitability throughout the nervous system and it is interesting to investigate the GABA effect as a substitute of normal plasticizer (glycerol) on edible film properties. Therefore, the objective of this study was to determine the effect of GABA concentrations (5-15% of pectin) on film mechanical properties, moisture content, water vapor permeability, and solubility compared with those from glycerol (10% of pectin) plasticized pectin film including a control film (pectin film without any plasticizer). It was found that an increase in GABA concentrations decreased film tensile strength, modulus, solubility and water vapor permeability, but elongation was increased without a change in the moisture content. The smaller amount of GABA showed the equivalent film properties as using a higher amount of glycerol. Consequently, GABA can act as an alternative plasticizer substitute of glycerol at the lower amount used. Moreover, GABA provides the nutritional high value in the food products when the edible packaging material is consumed with products.

Keywords: gamma-aminobutyric acid, pectin, plasticizer, edible film

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1280 Improvement in Blast Furnace Performance Using Softening - Melting Zone Profile Prediction Model at G Blast Furnace, Tata Steel Jamshedpur

Authors: Shoumodip Roy, Ankit Singhania, K. R. K. Rao, Ravi Shankar, M. K. Agarwal, R. V. Ramna, Uttam Singh

Abstract:

The productivity of a blast furnace and the quality of the hot metal produced are significantly dependent on the smoothness and stability of furnace operation. The permeability of the furnace bed, as well as the gas flow pattern, influences the steady control of process parameters. The softening – melting zone that is formed inside the furnace contributes largely in distribution of the gas flow and the bed permeability. A better shape of softening-melting zone enhances the performance of blast furnace, thereby reducing the fuel rates and improving furnace life. Therefore, predictive model of the softening- melting zone profile can be utilized to control and improve the furnace operation. The shape of softening-melting zone depends upon the physical and chemical properties of the agglomerates and iron ore charged in the furnace. The variations in the agglomerate proportion in the burden at G Blast furnace disturbed the furnace stability. During such circumstances, it was analyzed that a w-shape softening-melting zone profile was formed inside the furnace. The formation of w-shape zone resulted in poor bed permeability and non-uniform gas flow. There was a significant increase in the heat loss at the lower zone of the furnace. The fuel demand increased, and the huge production loss was incurred. Therefore, visibility of softening-melting zone profile was necessary in order to pro-actively optimize the process parameters and thereby to operate the furnace smoothly. Using stave temperatures, a model was developed that predicted the shape of the softening-melting zone inside the furnace. It was observed that furnace operated smoothly during inverse V-shape of the zone and vice-versa during w-shape. This model helped to control the heat loss, optimize the burden distribution and lower the fuel rate at G Blast Furnace, TSL Jamshedpur. As a result of furnace stabilization productivity increased by 10% and fuel rate reduced by 80 kg/thm. Details of the process have been discussed in this paper.

Keywords: agglomerate, blast furnace, permeability, softening-melting

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1279 Comfort Evaluation of Summer Knitted Clothes of Tencel and Cotton Fabrics

Authors: Mona Mohamed Shawkt Ragab, Heba Mohamed Darwish

Abstract:

Context: Comfort properties of garments are crucial for the wearer, and with the increasing demand for cotton fabric, there is a need to explore alternative fabrics that can offer similar or superior comfort properties. This study focuses on comparing the comfort properties of tencel/cotton single jersey fabric and cotton single jersey fabric, with the aim of identifying fabrics that are more suitable for summer clothes. Research Aim: The aim of this study is to evaluate the comfort properties of tencel/cotton single jersey fabric and cotton single jersey fabric, with the goal of identifying fabrics that can serve as alternatives to cotton, considering their comfort properties for summer clothing. Methodology: An experimental, analytical approach was employed in this study. Two circular knitting machines were used to produce the fabrics, one with a 24 inches gauge and the other with a 28 inches gauge. Both fabrics were knitted with three different loop lengths (3.05 mm, 2.9 mm, and 2.6 mm) to obtain loose, medium, and tight fabrics for evaluation. Various comfort properties, including air permeability, water vapor permeability, wickability, and thermal resistance, were measured for both fabric types. Findings: The study found a significant difference in comfort properties between tencel/cotton single jersey fabric and cotton single jersey fabric. Tencel/cotton fabric exhibited higher air permeability, water vapor permeability, and wickability compared to cotton fabric. These findings suggest that tencel fabric is more suitable for summer clothes due to its superior ventilation and absorption properties. Theoretical Importance: This study contributes to the exploration of alternative fabrics to cotton by evaluating their comfort properties. By identifying fabrics that offer better comfort properties than cotton, particularly in terms of water usage, the study provides valuable insights into sustainable fabric choices for the fashion industry. Data Collection and Analysis Procedures: The comfort properties of the fabrics were measured using appropriate testing methods. Paired comparison t-tests were conducted to determine the significant differences between tencel/cotton fabric and cotton fabric in the measured properties. Correlation coefficients were also calculated to examine the relationships between the factors under study. Question Addressed: The study addresses the question of whether tencel/cotton single jersey fabric can serve as an alternative to cotton fabric for summer clothes, considering their comfort properties. Conclusion: The study concludes that tencel/cotton single jersey fabric offers superior comfort properties compared to cotton single jersey fabric, making it a suitable alternative for summer clothes. The findings also highlight the importance of considering fabric properties, such as air permeability, water vapor permeability, and wickability, when selecting materials for garments to enhance wearer comfort. This research contributes to the search for sustainable alternatives to cotton and provides valuable insights for the fashion industry in making informed fabric choices.

Keywords: comfort properties, cotton fabric, tencel fabric, single jersey

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1278 Hydrogen Production Through Thermocatalytic Decomposition of Methane Over Biochar

Authors: Seyed Mohamad Rasool Mirkarimi, David Chiaramonti, Samir Bensaid

Abstract:

Catalytic methane decomposition (CMD, reaction 4) is a one-step process for hydrogen production where carbon in the methane molecule is sequestered in the form of stable and higher-value carbon materials. Metallic catalysts and carbon-based catalysts are two major types of catalysts utilized for the CDM process. Although carbon-based catalysts have lower activity compared to metallic ones, they are less expensive and offer high thermal stability and strong resistance to chemical impurities such as sulfur. Also, it would require less costly separation methods as some of the carbon-based catalysts may not have an active metal component in them. Since the regeneration of metallic catalysts requires burning of the C on their surfaces, which emits CO/CO2, in some cases, using carbon-based catalysts would be recommended because regeneration can be completely avoided, and the catalyst can be directly used in other processes. This work focuses on the effect of biochar as a carbon-based catalyst for the conversion of methane into hydrogen and carbon. Biochar produced from the pyrolysis of poplar wood and activated biochar are used as catalysts for this process. In order to observe the impact of carbon-based catalysts on methane conversion, methane cracking in the absence and presence of catalysts for a gas stream with different levels of methane concentration should be performed. The results of these experiments prove conversion of methane in the absence of catalysts at 900 °C is negligible, whereas in the presence of biochar and activated biochar, significant growth has been observed. Comparing the results of the tests related to using char and activated char shows the enhancement obtained in BET surface area of the catalyst through activation leads to more than 10 vol.% methane conversion.

Keywords: hydrogen production, catalytic methane decomposition, biochar, activated biochar, carbon-based catalyts

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1277 Exploring the Role of Hydrogen to Achieve the Italian Decarbonization Targets using an OpenScience Energy System Optimization Model

Authors: Alessandro Balbo, Gianvito Colucci, Matteo Nicoli, Laura Savoldi

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Hydrogen is expected to become an undisputed player in the ecological transition throughout the next decades. The decarbonization potential offered by this energy vector provides various opportunities for the so-called “hard-to-abate” sectors, including industrial production of iron and steel, glass, refineries and the heavy-duty transport. In this regard, Italy, in the framework of decarbonization plans for the whole European Union, has been considering a wider use of hydrogen to provide an alternative to fossil fuels in hard-to-abate sectors. This work aims to assess and compare different options concerning the pathway to be followed in the development of the future Italian energy system in order to meet decarbonization targets as established by the Paris Agreement and by the European Green Deal, and to infer a techno-economic analysis of the required asset alternatives to be used in that perspective. To accomplish this objective, the Energy System Optimization Model TEMOA-Italy is used, based on the open-source platform TEMOA and developed at PoliTo as a tool to be used for technology assessment and energy scenario analysis. The adopted assessment strategy includes two different scenarios to be compared with a business-as-usual one, which considers the application of current policies in a time horizon up to 2050. The studied scenarios are based on the up-to-date hydrogen-related targets and planned investments included in the National Hydrogen Strategy and in the Italian National Recovery and Resilience Plan, with the purpose of providing a critical assessment of what they propose. One scenario imposes decarbonization objectives for the years 2030, 2040 and 2050, without any other specific target. The second one (inspired to the national objectives on the development of the sector) promotes the deployment of the hydrogen value-chain. These scenarios provide feedback about the applications hydrogen could have in the Italian energy system, including transport, industry and synfuels production. Furthermore, the decarbonization scenario where hydrogen production is not imposed, will make use of this energy vector as well, showing the necessity of its exploitation in order to meet pledged targets by 2050. The distance of the planned policies from the optimal conditions for the achievement of Italian objectives is be clarified, revealing possible improvements of various steps of the decarbonization pathway, which seems to have as a fundamental element Carbon Capture and Utilization technologies for its accomplishment. In line with the European Commission open science guidelines, the transparency and the robustness of the presented results is ensured by the adoption of the open-source open-data model such as the TEMOA-Italy.

Keywords: decarbonization, energy system optimization models, hydrogen, open-source modeling, TEMOA

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1276 Extractive Desulfurization of Fuels Using Choline Chloride-Based Deep Eutectic Solvents

Authors: T. Zaki, Fathi S. Soliman

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Desulfurization process is required by most, if not all refineries, to achieve ultra-low sulfur fuel, that contains less than 10 ppm sulfur. A lot of research works and many effective technologies have been studied to achieve deep desulfurization process in moderate reaction environment, such as adsorption desulfurization (ADS), oxidative desulfurization (ODS), biodesulfurization and extraction desulfurization (EDS). Extraction desulfurization using deep eutectic solvents (DESs) is considered as simple, cheap, highly efficient and environmentally friend process. In this work, four DESs were designed and synthesized. Choline chloride (ChCl) was selected as typical hydrogen bond acceptors (HBA), and ethylene glycol (EG), glycerol (Gl), urea (Ur) and thiourea (Tu) were selected as hydrogen bond donors (HBD), from which a series of deep eutectic solvents were synthesized. The experimental data showed that the synthesized DESs showed desulfurization affinities towards the thiophene species in cyclohexane solvent. Ethylene glycol molecules showed more affinity to create hydrogen bond with thiophene instead of choline chloride. Accordingly, ethylene glycol choline chloride DES has the highest extraction efficiency.

Keywords: DES, desulfurization, green solvent, extraction

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1275 Instability of H2-O2-CO2 Premixed Flames on Flat Burner

Authors: Kaewpradap Amornrat, Endo Takahiro, Kadowaki Satoshi

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The combustion of hydrogen-oxygen (H2-O2) mixtures was investigated to consider the reduction of carbon dioxide (CO2) and nitrogen oxide (NOx) as the greenhouse emission. Normally, the flame speed of combustion H2-O2 mixtures are very fast thus it is necessary to control the limit of mixtures with CO2 addition as H2-O2-CO2 combustion. The limit of hydrogen was set and replaced by CO2 with O2:CO2 ratio as 1:3.76, 1:4 and 1:5 for this study. In this study, the combustion of H2-O2 -CO2 on flat burner at equivalence ratio =0.5 was investigated for 10, 15 and 20 L/min of flow rate mixtures. When the ratio of CO2 increases, the power spectral density is lower, the size of attractor and cellular flame become larger because the decrease of hydrogen replaced by CO2 affects the diffusive-thermal instability. Moreover, the flow rate mixtures increases, the power spectral density increases, the size of reconstructed attractor and cell size become smaller due to decreasing of instability. The results show that the variation of CO2 and mixture flow rate affects the instability of cellular premixed flames on flat burner.

Keywords: instability, H2-O2-CO2 combustion, flat burner, diffusive-thermal instability

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1274 The Hydrolysis of Phosphate Esters Can Be Enhanced by Intramolecular Hydrogen Bonding

Authors: Mohamed S. Sasi

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The research project aim is to study the hydrolysis of 8-diethylphosphate-1-naphthalenol with hydroxylamine in water. 8-diethylphosphate-1-naphthalenol, 1 was successfully synthesized and its rate of reaction with hydroxylamine was studied at 60°C. Pseudo first order behavior was observed. The rate of P-O cleavage of 1 at 60°C (7.43 x 10-3 M-1s-1) was found to be 178 fold and 7 fold slower than diethyl 8-dimethylamino-1-naphthyl phosphate, 3 at 60°C (1.32 M-1s-1) and diethyl 8-amino-1-naphthyl phosphate, 2 at 90 °C (5.5 x 10-2 M-1s-1) respectively. The rate of P-O cleavage of 1 with hydroxylamine was found to be faster than that of 4-chlorophenyl-1-cyclopropylphosphate triester, 5 where the reaction was too slow to observe at 60°C.

Keywords: phosphate esters, intramolecular hydrogen bonding

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1273 Radiation Stability of Structural Steel in the Presence of Hydrogen

Authors: E. A. Krasikov

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As the service life of an operating nuclear power plant (NPP) increases, the potential misunderstanding of the degradation of aging components must receive more attention. Integrity assurance analysis contributes to the effective maintenance of adequate plant safety margins. In essence, the reactor pressure vessel (RPV) is the key structural component determining the NPP lifetime. Environmentally induced cracking in the stainless steel corrosion-preventing cladding of RPV’s has been recognized to be one of the technical problems in the maintenance and development of light-water reactors. Extensive cracking leading to failure of the cladding was found after 13000 net hours of operation in JPDR (Japan Power Demonstration Reactor). Some of the cracks have reached the base metal and further penetrated into the RPV in the form of localized corrosion. Failures of reactor internal components in both boiling water reactors and pressurized water reactors have increased after the accumulation of relatively high neutron fluences (5´1020 cm–2, E>0,5MeV). Therefore, in the case of cladding failure, the problem arises of hydrogen (as a corrosion product) embrittlement of irradiated RPV steel because of exposure to the coolant. At present when notable progress in plasma physics has been obtained practical energy utilization from fusion reactors (FR) is determined by the state of material science problems. The last includes not only the routine problems of nuclear engineering but also a number of entirely new problems connected with extreme conditions of materials operation – irradiation environment, hydrogenation, thermocycling, etc. Limiting data suggest that the combined effect of these factors is more severe than any one of them alone. To clarify the possible influence of the in-service synergistic phenomena on the FR structural materials properties we have studied hydrogen-irradiated steel interaction including alternating hydrogenation and heat treatment (annealing). Available information indicates that the life of the first wall could be expanded by means of periodic in-place annealing. The effects of neutron fluence and irradiation temperature on steel/hydrogen interactions (adsorption, desorption, diffusion, mechanical properties at different loading velocities, post-irradiation annealing) were studied. Experiments clearly reveal that the higher the neutron fluence and the lower the irradiation temperature, the more hydrogen-radiation defects occur, with corresponding effects on the steel mechanical properties. Hydrogen accumulation analyses and thermal desorption investigations were performed to prove the evidence of hydrogen trapping at irradiation defects. Extremely high susceptibility to hydrogen embrittlement was observed with specimens which had been irradiated at relatively low temperature. However, the susceptibility decreases with increasing irradiation temperature. To evaluate methods for the RPV’s residual lifetime evaluation and prediction, more work should be done on the irradiated metal–hydrogen interaction in order to monitor more reliably the status of irradiated materials.

Keywords: hydrogen, radiation, stability, structural steel

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1272 Structural Insights into the Bypass of the Major Deaminated Purines by Translesion Synthesis DNA Polymerase

Authors: Hunmin Jung, Michael Hawkins, Seongmin Lee

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The exocyclic amines of nucleobases can undergo deamination by various DNA damaging agents such as reactive oxygen species, nitric oxide, and water. The deamination of guanine and adenine generates the promutagenic xanthine and hypoxanthine, respectively. The exocyclic amines of bases in DNA are hydrogen bond donors, while the carbonyl moiety generated by the base deamination acts as hydrogen bond acceptors, which can alter base pairing properties of the purines. Xanthine is known to base pair with both cytosine and thymine, while hypoxanthine predominantly pairs with cytosine to promote A to G mutations. Despite the known promutagenicity of the major deaminated purines, structures of DNA polymerase bypassing these lesions have not been reported. To gain insights into the deaminated-induced mutagenesis, we solved crystal structures of human DNA polymerase η (polη) catalyzing across xanthine and hypoxanthine. In the catalytic site of polη, the deaminated guanine (i.e., xanthine) forms three Watson-Crick-like hydrogen bonds with an incoming dCTP, indicating the O2-enol tautomer of xanthine involves in the base pairing. The formation of the enol tautomer appears to be promoted by the minor groove contact by Gln38 of polη. When hypoxanthine is at the templating position, the deaminated adenine uses its O6-keto tautomer to form two Watson-Crick hydrogen bonds with an incoming dCTP, providing the structural basis for the high promutagenicity of hypoxanthine.

Keywords: DNA damage, DNA polymerase, deamination, mutagenesis, tautomerization, translesion synthesis

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1271 One Dimensional Reactor Modeling for Methanol Steam Reforming to Hydrogen

Authors: Hongfang Ma, Mingchuan Zhou, Haitao Zhang, Weiyong Ying

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One dimensional pseudo-homogenous modeling has been performed for methanol steam reforming reactor. The results show that the models can well predict the industrial data. The reactor had minimum temperature along axial because of endothermic reaction. Hydrogen productions and temperature profiles along axial were investigated regarding operation conditions such as inlet mass flow rate and mass fraction of methanol, inlet temperature of external thermal oil. Low inlet mass flow rate of methanol, low inlet temperature, and high mass fraction of methanol decreased minimum temperature along axial. Low inlet mass flow rate of methanol, high mass fraction of methanol, and high inlet temperature of thermal oil made cold point forward. Low mass fraction, high mass flow rate, and high inlet temperature of thermal oil increased hydrogen production. One dimensional models can be a guide for industrial operation.

Keywords: reactor, modeling, methanol, steam reforming

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1270 Hydrogen Production By Photoreforming Of n-Butanol And Structural Isomers Over Pt Doped Titanate Catalyst

Authors: Hristina Šalipur, Jasmina Dostanić, Davor Lončarević, Matej Huš

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Photocatalytic water splitting/alcohol photoreforming has been used for the conversion of sunlight energy in the process of hydrogen production due to its sustainability, environmental safety, effectiveness and simplicity. Titanate nanotubes are frequently studied materials since they combine the properties of photo-active semiconductors with the properties of layered titanates, such as the ion-exchange ability. Platinum (Pt) doping into titanate structure has been considered an effective strategy in better separation efficiency of electron-hole pairs and lowering the overpotential for hydrogen production, which results in higher photocatalytic activity. In our work, Pt doped titanate catalysts were synthesized via simple alkaline hydrothermal treatment, incipient wetness impregnation method and temperature-programmed reduction. The structural, morphological and optical properties of the prepared catalysts were investigated using various characterization techniques such as X-ray diffraction (XRD), scanning electron microscopy (SEM), N2 physisorption, and diffuse reflectance spectroscopy (DRS). The activities of the prepared Pt-doped titanate photocatalysts were tested for hydrogen production via photocatalytic water splitting/alcohol photoreforming process under simulated solar light irradiation. Characterization of synthesized Pt doped titanate catalysts showed crystalline anatase phase, preserved nanotubular structure and high specific surface area. The result showed enhancement of activity in photocatalytic water splitting/alcohol photoreforming in the following order 2-butanol>1-butanol>tert-butanol, with obtained maximal hydrogen production rate of 7.5, 5.3 and 2 mmol g-1 h-1, respectively. Different possible factors influencing the hole scavenging ability, such as hole scavenger redox potential and diffusivity, adsorption and desorption rate of the hole scavenger on the surface and stability of the alcohol radical species generated via hole scavenging, were investigated. The theoretical evaluation using density functional theory (DFT) further elucidated the reaction kinetics and detailed mechanism of photocatalytic water splitting/alcohol photoreforming.

Keywords: hydrogen production, platinum, semiconductor, water splitting, density functional theory

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1269 Identification and Understanding of Colloidal Destabilization Mechanisms in Geothermal Processes

Authors: Ines Raies, Eric Kohler, Marc Fleury, Béatrice Ledésert

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In this work, the impact of clay minerals on the formation damage of sandstone reservoirs is studied to provide a better understanding of the problem of deep geothermal reservoir permeability reduction due to fine particle dispersion and migration. In some situations, despite the presence of filters in the geothermal loop at the surface, particles smaller than the filter size (<1 µm) may surprisingly generate significant permeability reduction affecting in the long term the overall performance of the geothermal system. Our study is carried out on cores from a Triassic reservoir in the Paris Basin (Feigneux, 60 km Northeast of Paris). Our goal is to first identify the clays responsible for clogging, a mineralogical characterization of these natural samples was carried out by coupling X-Ray Diffraction (XRD), Scanning Electron Microscopy (SEM) and Energy Dispersive X-ray Spectroscopy (EDS). The results show that the studied stratigraphic interval contains mostly illite and chlorite particles. Moreover, the spatial arrangement of the clays in the rocks as well as the morphology and size of the particles, suggest that illite is more easily mobilized than chlorite by the flow in the pore network. Thus, based on these results, illite particles were prepared and used in core flooding in order to better understand the factors leading to the aggregation and deposition of this type of clay particles in geothermal reservoirs under various physicochemical and hydrodynamic conditions. First, the stability of illite suspensions under geothermal conditions has been investigated using different characterization techniques, including Dynamic Light Scattering (DLS) and Scanning Transmission Electron Microscopy (STEM). Various parameters such as the hydrodynamic radius (around 100 nm), the morphology and surface area of aggregates were measured. Then, core-flooding experiments were carried out using sand columns to mimic the permeability decline due to the injection of illite-containing fluids in sandstone reservoirs. In particular, the effects of ionic strength, temperature, particle concentration and flow rate of the injected fluid were investigated. When the ionic strength increases, a permeability decline of more than a factor of 2 could be observed for pore velocities representative of in-situ conditions. Further details of the retention of particles in the columns were obtained from Magnetic Resonance Imaging and X-ray Tomography techniques, showing that the particle deposition is nonuniform along the column. It is clearly shown that very fine particles as small as 100 nm can generate significant permeability reduction under specific conditions in high permeability porous media representative of the Triassic reservoirs of the Paris basin. These retention mechanisms are explained in the general framework of the DLVO theory

Keywords: geothermal energy, reinjection, clays, colloids, retention, porosity, permeability decline, clogging, characterization, XRD, SEM-EDS, STEM, DLS, NMR, core flooding experiments

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1268 Reduction of Fermentation Duration of Cassava to Remove Hydrogen Cyanide

Authors: Jean Paul Hategekimana, Josiane Irakoze, Eugene Niyonzima, Annick Ndekezi

Abstract:

Cassava (Manihot esculenta Crantz) is a root crop comprising an anti-nutritive factor known as cyanide. The compound can be removed by numerous processing methods such as boiling, fermentation, blanching, and sun drying to avoid the possibility of cyanide poisoning. Inappropriate processing mean can lead to disease and death. Cassava-based dishes are consumed in different ways, where cassava is cultivated according to their culture and preference. However, they have been shown to be unsafe based on high cyanide levels. The current study targeted to resolve the problem of high cyanide in cassava consumed in Rwanda. This study was conducted to determine the effect of slicing, blanching, and soaking time to reduce the fermentation duration of cassava for hydrogen cyanide (HCN) in mg/g removal. Cassava was sliced into three different portions (1cm, 2cm, and 5cm). The first portions were naturally fermented for seven days, where each portion was removed every 24 hours from soaking tanks and then oven dried at a temperature of 60°C and then milled to obtain naturally fermented cassava flours. Other portions of 1cm, 2cm, and 5cm were blanched for 2, 5, 10 min, respectively, and each similarly dried at 60°C and milled to produce blanched cassava flour. Other blanched portions were used to follow the previous fermentation steps. The last portions, which formed the control, were simply chopped. Cyanide content and starch content in mg/100g were investigated. According to the conducted analysis on different cassava treatments for detoxification, found that usual fermentation can be used, but for sliced portions aimed to size reduction for the easy hydrogen cyanide diffuse out and it takes four days to complete fermentation, which has reduced at 94.44% with significantly different (p<0.05)of total hydrogen cyanide contained in cassava to safe level of consumption, and what is recommended as more effective is to apply blanching combined with fermentation due to the fact that, it takes three days to complete hydrogen cyanide removal at 95.56% on significantly different (p<0.05) of reduction to the safe level of consumption.

Keywords: cassava, cyanide, blanching, drying, fermentation

Procedia PDF Downloads 68
1267 Modeling and Analysis the Effects of Temperature and Pressure on the Gas-Crossover in Polymer Electrolyte Membrane Electrolyzer

Authors: Abdul Hadi Bin Abdol Rahim, Alhassan Salami Tijani

Abstract:

Hydrogen produced by means of polymer electrolyte membrane electrolyzer (PEME) is one of the most promising methods due to clean and renewable energy source. In the process, some energy loss due to mass transfer through a PEM is caused by diffusion, electro-osmotic drag, and the pressure difference between the cathode channel and anode channel. In PEME water molecules and ionic particles transferred between the electrodes from anode to cathode, Extensive mixing of the hydrogen and oxygen at anode channel due to gases cross-over must be avoided. In recent times the consciousness of safety issue in high pressure PEME where the oxygen mix with hydrogen at anode channel could create, explosive conditions have generated a lot of concern. In this paper, the steady state and simulation analysis of gases crossover in PEME on the temperature and pressure effect are presented. The simulations have been analysis in MATLAB based on the well-known Fick’s Law of molecular diffusion. The simulation results indicated that as temperature increases, there is a significant decrease in operating voltage.

Keywords: diffusion, gases crosover, steady state, Fick’s law

Procedia PDF Downloads 330
1266 Similitude for Thermal Scale-up of a Multiphase Thermolysis Reactor in the Cu-Cl Cycle of a Hydrogen Production

Authors: Mohammed W. Abdulrahman

Abstract:

The thermochemical copper-chlorine (Cu-Cl) cycle is considered as a sustainable and efficient technology for a hydrogen production, when linked with clean-energy systems such as nuclear reactors or solar thermal plants. In the Cu-Cl cycle, water is decomposed thermally into hydrogen and oxygen through a series of intermediate reactions. This paper investigates the thermal scale up analysis of the three phase oxygen production reactor in the Cu-Cl cycle, where the reaction is endothermic and the temperature is about 530 oC. The paper focuses on examining the size and number of oxygen reactors required to provide enough heat input for different rates of hydrogen production. The type of the multiphase reactor used in this paper is the continuous stirred tank reactor (CSTR) that is heated by a half pipe jacket. The thermal resistance of each section in the jacketed reactor system is studied to examine its effect on the heat balance of the reactor. It is found that the dominant contribution to the system thermal resistance is from the reactor wall. In the analysis, the Cu-Cl cycle is assumed to be driven by a nuclear reactor where two types of nuclear reactors are examined as the heat source to the oxygen reactor. These types are the CANDU Super Critical Water Reactor (CANDU-SCWR) and High Temperature Gas Reactor (HTGR). It is concluded that a better heat transfer rate has to be provided for CANDU-SCWR by 3-4 times than HTGR. The effect of the reactor aspect ratio is also examined in this paper and is found that increasing the aspect ratio decreases the number of reactors and the rate of decrease in the number of reactors decreases by increasing the aspect ratio. Finally, a comparison between the results of heat balance and existing results of mass balance is performed and is found that the size of the oxygen reactor is dominated by the heat balance rather than the material balance.

Keywords: sustainable energy, clean energy, Cu-Cl cycle, heat transfer, hydrogen, oxygen

Procedia PDF Downloads 295
1265 Assessment of Reservoir Quality and Heterogeneity in Middle Buntsandstein Sandstones of Southern Netherlands for Deep Geothermal Exploration

Authors: Husnain Yousaf, Rudy Swennen, Hannes Claes, Muhammad Amjad

Abstract:

In recent years, the Lower Triassic Main Buntsandstein sandstones in the southern Netherlands Basins have become a point of interest for their deep geothermal potential. To identify the most suitable reservoir for geothermal exploration, the diagenesis and factors affecting reservoir quality, such as porosity and permeability, are assessed. This is done by combining point-counted petrographic data with conventional core analysis. The depositional environments play a significant role in determining the distribution of lithofacies, cement, clays, and grain sizes. The position in the basin and proximity to the source areas determine the lateral variability of depositional environments. The stratigraphic distribution of depositional environments is linked to both local topography and climate, where high humidity leads to fluvial deposition and high aridity periods lead to aeolian deposition. The Middle Buntsandstein Sandstones in the southern part of the Netherlands shows high porosity and permeability in most sandstone intervals. There are various controls on reservoir quality in the examined sandstone samples. Grain sizes and total quartz content are the primary factors affecting reservoir quality. Conversely, carbonate and anhydrite cement, clay clasts, and intergranular clay represent a local control and cannot be applied on a regional scale. Similarly, enhanced secondary porosity due to feldspar dissolution is locally restricted and minor. The analysis of textural, mineralogical, and petrophysical data indicates that the aeolian and fluvial sandstones represent a heterogeneous reservoir system. The ephemeral fluvial deposits have an average porosity and permeability of <10% and <1mD, respectively, while the aeolian sandstones exhibit values of >18% and >100mD.

Keywords: reservoir quality, diagenesis, porosity, permeability, depositional environments, Buntsandstein, Netherlands

Procedia PDF Downloads 63
1264 Green Delivery Systems for Fruit Polyphenols

Authors: Boris M. Popović, Tatjana Jurić, Bojana Blagojević, Denis Uka, Ružica Ždero Pavlović

Abstract:

Green solvents are environmentally friendly and greatly improve the sustainability of chemical processes. There is a growing interest in the green extraction of polyphenols from fruits. In this study, we consider three Natural Deep Eutectic Solvents (NADES) systems based on choline chloride as a hydrogen bond acceptor and malic acid, urea, and fructose as hydrogen bond donors. NADES systems were prepared by heating and stirring, ultrasound, and microwave (MW) methods. Sour cherry pomace was used as a natural source of polyphenols. Polyphenol extraction from cherry pomace was performed by ultrasound-assisted extraction and microwave-assisted extraction and compared with conventional heat and stirring method extraction. It was found that MW-assisted preparation of NADES was the fastest, requiring less than 30 s. Also, MW extraction of polyphenols was the most rapid, with less than 5 min necessary for the extract preparation. All three NADES systems were highly efficient for anthocyanin extraction, but the most efficient was the system with malic acid as a hydrogen bond donor (yield of anthocyanin content was enhanced by 62.33% after MW extraction with NADES compared with the conventional solvent).

Keywords: anthocyanins, green extraction, NADES, polyphenols

Procedia PDF Downloads 92
1263 The Effect of Nanoclay on the Hydraulic Conductivity of Clayey Sand Soils

Authors: Javad Saeidaskari, Mohammad Hassan Baziar

Abstract:

Soil structures have been frequently damaged during piping, earthquake and other types of failures. As far as adverse circumstances were developed subsequent to piping or other similar failure types, hydraulic parameters of soil such as hydraulic conductivity should be considered. As a result, acquiring an approach to diminish soil permeability is inevitable. There are many ground improvement methods to reduce seepage, which are classified under soil treatment and stabilization methods. Recently, one of the soil improvement methods is known as nanogeotechnology. This study aims to investigate the influence of Cloisite 30B nanoclay on permeability of compacted clayey sand soils. The samples are prepared by mixing two soil types, including Kaolin clay and Firouzkooh sand, in 1:9 and 1:5 clay:sand (by mass) proportions. In experimental procedure, initially, the optimum water content and maximum dry unit weight of each samples were obtained for compaction. Then, series of permeability tests were conducted by triaxial apparatus on prepared specimens with identical relative density of 95% of maximum dry density and water content of 1% wet of optimum for different weight percentages of nanoclay (1% to 4%). Therefore, in this paper, the effect of time on treated specimen was appraised, as well as two approaches of manual mixing and ball milling were compared to reveal the importance of dispersion issue. The results show that adding nanoclay up to 3%, as its optimum content, causes notable reduction in permeability (1.60e-03 to 5.51e-05 cm/s and 3.32e-04 to 8.44e-07 cm/s in samples with 1:9 and 1:5 mixture proportions, respectively). The hydraulic conductivity of treated clayey sand (1:5 mixture proportion with 3% nanoclay) decreases gradually from 8.44e-07 to 3.00e-07 cm/s within 90 days and then tends to be consistent. The influence of mixing method on permeability results shows that the utilization of ball mill mixing effectively leads to lower values than those of manual mixing, in other words, by adding 3% nanoclay, hydraulic conductivity of specimen declines from 8.44e-07 to 2.00e-07 cm/s. In order to evaluate the interaction between soil particles and, to ensure proper dispersion of nanoparticles through clayey sand mixture, they were magnified by means of scanning electron microscope (SEM). In conclusion, the nanoclay particles in vicinity of moisture can cause soil stabilization to prevent water penetration, which eventually result in lower usage of clay and operation costs.

Keywords: nanoclay, cloisite 30b, clayey sand, hydraulic conductivity

Procedia PDF Downloads 349
1262 Effect of Permeability Reducing Admixture Utilization on Sulfate Resistance of Self-Consolidating Concrete Mixture

Authors: Ali Mardani-Aghabaglou, Zia Ahmad Faqiri, Semsi Yazici

Abstract:

In this study, the effect of permeability reducing admixture (PRA) utilization on fresh properties, compressive strength and sulfate resistance of self-consolidating concrete (SSC) were investigated. For this aim, two different commercial PRA were used at two utilization ratios as %0.1 and %0.2 wt. CEM I 42.5 R type cement and crushed limestone aggregate having Dmax of 15 mm were used for preparing of SCC mixtures. In all mixtures, cement content, water/cement ratio, and flow value were kept constant as 450 kg, 0.40 and 65 ± 2 cm, respectively. In order to obtain desired flow value, a polycarboxylate ether-based high range water reducing admixture was used at different content. T50 flow time, flow value, L-box, and U-funnel of SCC mixture were measured as fresh properties. 1, 3, 7 and 28-day compressive strength of SCC mixture were obtained on 150 mm cubic specimens. To investigate the sulfate resistance of SCC mixture 75x75x285 mm prismatic specimens were produced. After 28-day water curing, specimens were immersed in %5 sodium sulfate solution during 210 days. The length change of specimens was measured at 5-day time intervals up to 210 days. According to the test results, all fresh properties of SCC mixtures were in accordance with the European federation of specialist construction chemicals and concrete systems (EFNARC) critter for SCC mixtures. The utilization of PRA had no significant effect on compressive strength and fresh properties of SCC mixtures. Regardless of PRA type, sulfate resistance of SCC mixture increased by adding of PRA into the SCC mixtures. The length changes of the SCC mixtures containing %1 and %2 PRA were measured as %8 and %14 less than that of control mixture containing no PRA, respectively.

Keywords: permeability reducing admixture, self-consolidating concrete, fresh properties, sulfate resistance

Procedia PDF Downloads 157
1261 Optimization of Shale Gas Production by Advanced Hydraulic Fracturing

Authors: Fazl Ullah, Rahmat Ullah

Abstract:

This paper shows a comprehensive learning focused on the optimization of gas production in shale gas reservoirs through hydraulic fracturing. Shale gas has emerged as an important unconventional vigor resource, necessitating innovative techniques to enhance its extraction. The key objective of this study is to examine the influence of fracture parameters on reservoir productivity and formulate strategies for production optimization. A sophisticated model integrating gas flow dynamics and real stress considerations is developed for hydraulic fracturing in multi-stage shale gas reservoirs. This model encompasses distinct zones: a single-porosity medium region, a dual-porosity average region, and a hydraulic fracture region. The apparent permeability of the matrix and fracture system is modeled using principles like effective stress mechanics, porous elastic medium theory, fractal dimension evolution, and fluid transport apparatuses. The developed model is then validated using field data from the Barnett and Marcellus formations, enhancing its reliability and accuracy. By solving the partial differential equation by means of COMSOL software, the research yields valuable insights into optimal fracture parameters. The findings reveal the influence of fracture length, diversion capacity, and width on gas production. For reservoirs with higher permeability, extending hydraulic fracture lengths proves beneficial, while complex fracture geometries offer potential for low-permeability reservoirs. Overall, this study contributes to a deeper understanding of hydraulic cracking dynamics in shale gas reservoirs and provides essential guidance for optimizing gas production. The research findings are instrumental for energy industry professionals, researchers, and policymakers alike, shaping the future of sustainable energy extraction from unconventional resources.

Keywords: fluid-solid coupling, apparent permeability, shale gas reservoir, fracture property, numerical simulation

Procedia PDF Downloads 71
1260 Research on Low interfacial Tension Viscoelastic Fluid Oil Displacement System in Unconventional Reservoir

Authors: Long Long Chen, Xinwei Liao, Shanfa Tang, Shaojing Jiang, Ruijia Tang, Rui Wang, Shu Yun Feng, Si Yao Wang

Abstract:

Unconventional oil reservoirs have the characteristics of strong heterogeneity and poor injectability, and traditional chemical flooding technology is not effective in such reservoirs; polymer flooding in the production of heavy oil reservoirs is difficult to handle produced fluid and easy to block oil wells, etc. Therefore, a viscoelastic fluid flooding system with good adaptability, low interfacial tension, plugging, and diverting capabilities was studied. The viscosity, viscoelasticity, surface/interfacial activity, wettability, emulsification, and oil displacement performance of the anionic Gemini surfactant flooding system were studied, and the adaptability of the system to the reservoir environment was evaluated. The oil displacement effect of the system in low-permeability and high-permeability (heavy oil) reservoirs was investigated, and the mechanism of the system to enhance water flooding recovery was discussed. The results show that the system has temperature resistance and viscosity increasing performance (65℃, 4.12mPa•s), shear resistance and viscoelasticity; at a lower concentration (0.5%), the oil-water interfacial tension can be reduced to ultra-low (10-3mN/m); has good emulsifying ability for heavy oil, and is easy to break demulsification (4.5min); has good adaptability to reservoirs with high salinity (30000mg/L). Oil flooding experiments show that this system can increase the water flooding recovery rate of low-permeability homogeneous and heterogeneous cores by 13% and 15%, respectively, and can increase the water-flooding recovery rate of high-permeability heavy oil reservoirs by 40%. The anionic Gemini surfactant flooding system studied in this paper is a viscoelastic fluid, has good emulsifying and oil washing ability, can effectively improve sweep efficiency, reduce injection pressure, and has broad application in unconventional reservoirs to enhance oil recovery prospect.

Keywords: oil displacement system, recovery factor, rheology, interfacial activity, environmental adaptability

Procedia PDF Downloads 124
1259 Strength & Density of an Autoclaved Aerated Concrete Using Various Air Entraining Agent

Authors: Shashank Gupta, Shiva Garg

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The purpose of the present paper is to study the changes in the strength characteristics of autoclaved aerated concrete (AAC) and also the density when different expansion agents are used. The expansion agent so used releases air in the concrete thereby making it lighter by reducing its density. It also increases the workability of the concrete. The various air entraining agents used for this study are hydrogen peroxide, oleic acid, and olive oil. The addition of these agents causes the concrete to rise like cake but it reduces the strength of concrete due to the formation of air voids. The amount of agents chosen for concrete production are 0.5%, 1%, 1.5% by weight of cement.

Keywords: AAC, olive oil, hydrogen peroxide, oleic acid, steam curing

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1258 Hydration of Three-Piece K Peptide Fragments Studied by Means of Fourier Transform Infrared Spectroscopy

Authors: Marcin Stasiulewicz, Sebastian Filipkowski, Aneta Panuszko

Abstract:

Background: The hallmark of neurodegenerative diseases, including Alzheimer's and Parkinson's diseases, is an aggregation of the abnormal forms of peptides and proteins. Water is essential to functioning biomolecules, and it is one of the key factors influencing protein folding and misfolding. However, the hydration studies of proteins are complicated due to the complexity of protein systems. The use of model compounds can facilitate the interpretation of results involving larger systems. Objectives: The goal of the research was to characterize the properties of the hydration water surrounding the two three-residue K peptide fragments INS (Isoleucine - Asparagine - Serine) and NSR (Asparagine - Serine - Arginine). Methods: Fourier-transform infrared spectra of aqueous solutions of the tripeptides were recorded on Nicolet 8700 spectrometer (Thermo Electron Co.) Measurements were carried out at 25°C for varying molality of solute. To remove oscillation couplings from water spectra and, consequently, obtain narrow O-D semi-heavy water bands (HDO), the isotopic dilution method of HDO in H₂O was used. The difference spectra method allowed us to isolate the tripeptide-affected HDO spectrum. Results: The structural and energetic properties of water affected by the tripeptides were compared to the properties of pure water. The shift of the values of the gravity center of bands (related to the mean energy of water hydrogen bonds) towards lower values with respect to the ones corresponding to pure water suggests that the energy of hydrogen bonds between water molecules surrounding tripeptides is higher than in pure water. A comparison of the values of the mean oxygen-oxygen distances in water affected by tripeptides and pure water indicates that water-water hydrogen bonds are shorter in the presence of these tripeptides. The analysis of differences in oxygen-oxygen distance distributions between the tripeptide-affected water and pure water indicates that around the tripeptides, the contribution of water molecules with the mean energy of hydrogen bonds decreases, and simultaneously the contribution of strong hydrogen bonds increases. Conclusions: It was found that hydrogen bonds between water molecules in the hydration sphere of tripeptides are shorter and stronger than in pure water. It means that in the presence of the tested tripeptides, the structure of water is strengthened compared to pure water. Moreover, it has been shown that in the vicinity of the Asparagine - Serine - Arginine, water forms stronger and shorter hydrogen bonds. Acknowledgments: This work was funded by the National Science Centre, Poland (grant 2017/26/D/NZ1/00497).

Keywords: amyloids, K-peptide, hydration, FTIR spectroscopy

Procedia PDF Downloads 178
1257 Experimental Study of Flow Effects of Solid Particles’ Size in Porous Media

Authors: S. Akridiss, E. El Tabach, K. Chetehouna, N. Gascoin, M. S. Kadiri

Abstract:

Transpiration cooling combined to regenerative cooling is a technique that could be used to cool the porous walls of the future ramjet combustion chambers; it consists of using fuel that will flow through the pores of the porous material consisting of the chamber walls, as coolant. However, at high temperature, the fuel is pyrolysed and generates solid coke particles inside the porous materials. This phenomenon can lead to a significant decrease of the material permeability and can affect the efficiency of the cooling system. In order to better understand this phenomenon, an experimental laboratory study was undertaken to determine the transport and deposition of particles in a sintered porous material subjected to steady state flow. The test bench composed of a high-pressure autoclave is used to study the transport of different particle size (35

Keywords: experimental study, permeability, porous material, suspended particles

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1256 A Supramolecular Cocrystal of 2-Amino-4-Chloro-6-Methylpyrimidine with 4-Methylbenzoic Acid: Synthesis, Structural Determinations and Quantum Chemical Investigations

Authors: Nuridayanti Che Khalib, Kaliyaperumal Thanigaimani, Suhana Arshad, Ibrahim Abdul Razak

Abstract:

The 1:1 co-crystal of 2-amino-4-chloro-6-methylpyrimidine (2A4C6MP) with 4-methylbenzoic acid (4MBA) (I) has been prepared by slow evaporation method in methanol, which was crystallized in monoclinic C2/c space group, Z = 8, a = 28.431 (2) Å, b = 7.3098 (5) Å, c = 14.2622 (10) Å, and β = 109.618 (3)°. The presence of unionized –COOH functional group in co-crystal I was identified both by spectral methods (1H and 13C NMR, FTIR) and X-ray diffraction structural analysis. The 2A4C6MP molecule interact with the carboxylic group of the respective 4MBA molecule through N—H⋯O and O—H⋯N hydrogen bonds, forming a cyclic hydrogen –bonded motif R22(8). The crystal structure was stabilized by Npyrimidine-H⋯O=C and C=O-H⋯Npyrimidine types hydrogen bonding interactions. Theoretical investigations have been computed by HF and density function (B3LYP) method with 6-311+G(d,p) basis set. The vibrational frequencies together with 1H and 13C NMR chemical shifts have been calculated on the fully optimized geometry of co-crystal I. Theoretical calculations are in good agreement with the experimental results. Solvent-free formation of this co-crystal I is confirmed by powder X-ray diffraction analysis.

Keywords: supramolecular co-crystal, 2-amino-4-chloro-6-methylpyrimidine, Harthree-Fock and DFT studies, spectroscopic analysis

Procedia PDF Downloads 309